Search research articles
Contact Us
Filters
Showing results (301-310 of 626) with videos related to
Page
of 63
Sort By:
The Journal of Physical Chemistry. B
|
January 14, 2014
Comparison of structure determination methods for intrinsically disordered amyloid-β peptides
K Aurelia Ball, David E Wemmer, Teresa Head-Gordon
The Journal of Physical Chemistry Letters
|
December 20, 2023
Predicting the Raman Spectra of Liquid Water with a Monomer-Field Model
R Allen LaCour, Joseph P Heindel, Teresa Head-Gordon
Nature Communications
|
May 1, 2024
The role of charge in microdroplet redox chemistry
Joseph P Heindel, R Allen LaCour, Teresa Head-Gordon
Annual Review of Physical Chemistry
|
February 27, 2021
From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis
Yuezhi Mao, Matthias Loipersberger, Paul R Horn, et al.
Journal of the American Chemical Society
|
July 18, 2009
Effects of ligand composition on the oxidative carbonylation of toluene to toluic acid catalyzed by Rh(III) complexes
Joseph Zakzeski, Andrew Behn, Martin Head-Gordon, et al.
Journal of Chemical Theory and Computation
|
August 26, 2025
Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin-Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory
Richard Kang, Leonardo A Cunha, Diptarka Hait, et al.
Journal of Chemical Theory and Computation
|
January 11, 2017
Coupled-Cluster Valence-Bond Singles and Doubles for Strongly Correlated Systems: Block-Tensor Based Implementation and Application to Oligoacenes
Joonho Lee, David W Small, Evgeny Epifanovsky, et al.
The Journal of Chemical Physics
|
March 24, 2025
Real-time propagation of adaptive sampling selected configuration interaction wave functions
Avijit Shee, Zhen Huang, Martin Head-Gordon, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches
Jonathon Witte, Matthew Goldey, Jeffrey B Neaton, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 6, 2025
An improved guess for the variational calculation of charge-transfer excitations in large systems
Nicola Bogo, Zeyi Zhang, Martin Head-Gordon, et al.
Page
of 63
Search research articles
Search
Showing results (301-310 of 626) with videos related to
Sort By:
Page
of 63
The Journal of Physical Chemistry. B
|
January 14, 2014
Comparison of structure determination methods for intrinsically disordered amyloid-β peptides
K Aurelia Ball, David E Wemmer, Teresa Head-Gordon
The Journal of Physical Chemistry Letters
|
December 20, 2023
Predicting the Raman Spectra of Liquid Water with a Monomer-Field Model
R Allen LaCour, Joseph P Heindel, Teresa Head-Gordon
Nature Communications
|
May 1, 2024
The role of charge in microdroplet redox chemistry
Joseph P Heindel, R Allen LaCour, Teresa Head-Gordon
Annual Review of Physical Chemistry
|
February 27, 2021
From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis
Yuezhi Mao, Matthias Loipersberger, Paul R Horn, et al.
Journal of the American Chemical Society
|
July 18, 2009
Effects of ligand composition on the oxidative carbonylation of toluene to toluic acid catalyzed by Rh(III) complexes
Joseph Zakzeski, Andrew Behn, Martin Head-Gordon, et al.
Journal of Chemical Theory and Computation
|
August 26, 2025
Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin-Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory
Richard Kang, Leonardo A Cunha, Diptarka Hait, et al.
Journal of Chemical Theory and Computation
|
January 11, 2017
Coupled-Cluster Valence-Bond Singles and Doubles for Strongly Correlated Systems: Block-Tensor Based Implementation and Application to Oligoacenes
Joonho Lee, David W Small, Evgeny Epifanovsky, et al.
The Journal of Chemical Physics
|
March 24, 2025
Real-time propagation of adaptive sampling selected configuration interaction wave functions
Avijit Shee, Zhen Huang, Martin Head-Gordon, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches
Jonathon Witte, Matthew Goldey, Jeffrey B Neaton, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 6, 2025
An improved guess for the variational calculation of charge-transfer excitations in large systems
Nicola Bogo, Zeyi Zhang, Martin Head-Gordon, et al.
Page
of 63